2-[5-[2,3-bis[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-sulfoethoxy)pentoxy]propoxy]-1,1,2,2-tetrafluoropentoxy]-1,1,2,2-tetrafluoroethanesulfonic acid

C24H26F24O15S3 — CID 58616442

About 2-[5-[2,3-bis[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-sulfoethoxy)pentoxy]propoxy]-1,1,2,2-tetrafluoropentoxy]-1,1,2,2-tetrafluoroethanesulfonic acid

2-[5-[2,3-bis[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-sulfoethoxy)pentoxy]propoxy]-1,1,2,2-tetrafluoropentoxy]-1,1,2,2-tetrafluoroethanesulfonic acid (PubChem CID 58616442) has the molecular formula C24H26F24O15S3 and a molecular weight of 1106.61 g/mol. Its IUPAC name is 2-[5-[2,3-bis[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-sulfoethoxy)pentoxy]propoxy]-1,1,2,2-tetrafluoropentoxy]-1,1,2,2-tetrafluoroethanesulfonic acid.

Molecular Properties

• Compound Name: 2-[5-[2,3-bis[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-sulfoethoxy)pentoxy]propoxy]-1,1,2,2-tetrafluoropentoxy]-1,1,2,2-tetrafluoroethanesulfonic acid
• PubChem CID: 58616442
• Molecular Formula: C24H26F24O15S3
• Molecular Weight: 1106.61 g/mol
• Exact Mass: 1106.01
• IUPAC Name: 2-[5-[2,3-bis[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-sulfoethoxy)pentoxy]propoxy]-1,1,2,2-tetrafluoropentoxy]-1,1,2,2-tetrafluoroethanesulfonic acid
• SMILES: O=S(=O)(O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)CCCOCC(COCCCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(=O)(=O)O)OCCCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(=O)(=O)O
• InChI: InChI=1S/C24H26F24O15S3/c25-13(26,16(31,32)61-19(37,38)22(43,44)64(49,50)51)4-1-7-58-10-12(60-9-3-6-15(29,30)18(35,36)63-21(41,42)24(47,48)66(55,56)57)11-59-8-2-5-14(27,28)17(33,34)62-20(39,40)23(45,46)65(52,53)54/h12H,1-11H2,(H,49,50,51)(H,52,53,54)(H,55,56,57)
• InChIKey: LDEHLDUONVLQJY-UHFFFAOYSA-N
• XLogP: 7.70
• TPSA: 218.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 32
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1106.61
LogP ≤ 5	7.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2,3-bis[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-sulfoethoxy)pentoxy]propoxy]-1,1,2,2-tetrafluoropentoxy]-1,1,2,2-tetrafluoroethanesulfonic acid?

The IUPAC name of 2-[5-[2,3-bis[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-sulfoethoxy)pentoxy]propoxy]-1,1,2,2-tetrafluoropentoxy]-1,1,2,2-tetrafluoroethanesulfonic acid (CID 58616442) is 2-[5-[2,3-bis[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-sulfoethoxy)pentoxy]propoxy]-1,1,2,2-tetrafluoropentoxy]-1,1,2,2-tetrafluoroethanesulfonic acid.

What is the SMILES notation for 2-[5-[2,3-bis[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-sulfoethoxy)pentoxy]propoxy]-1,1,2,2-tetrafluoropentoxy]-1,1,2,2-tetrafluoroethanesulfonic acid?

The canonical SMILES for 2-[5-[2,3-bis[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-sulfoethoxy)pentoxy]propoxy]-1,1,2,2-tetrafluoropentoxy]-1,1,2,2-tetrafluoroethanesulfonic acid is O=S(=O)(O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)CCCOCC(COCCCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(=O)(=O)O)OCCCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(=O)(=O)O.

What is the InChIKey of 2-[5-[2,3-bis[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-sulfoethoxy)pentoxy]propoxy]-1,1,2,2-tetrafluoropentoxy]-1,1,2,2-tetrafluoroethanesulfonic acid?

The InChIKey is LDEHLDUONVLQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F24O15S3/c25-13(26,16(31,32)61-19(37,38)22(43,44)64(49,50)51)4-1-7-58-10-12(60-9-3-6-15(29,30)18(35,36)63-21(41,42)24(47,48)66(55,56)57)11-59-8-2-5-14(27,28)17(33,34)62-20(39,40)23(45,46)65(52,53)54/h12H,1-11H2,(H,49,50,51)(H,52,53,54)(H,55,56,57).

What are the key properties of 2-[5-[2,3-bis[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-sulfoethoxy)pentoxy]propoxy]-1,1,2,2-tetrafluoropentoxy]-1,1,2,2-tetrafluoroethanesulfonic acid?

2-[5-[2,3-bis[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-sulfoethoxy)pentoxy]propoxy]-1,1,2,2-tetrafluoropentoxy]-1,1,2,2-tetrafluoroethanesulfonic acid has a molecular weight of 1106.61 g/mol, XLogP of 7.70, 32 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[2,3-bis[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-sulfoethoxy)pentoxy]propoxy]-1,1,2,2-tetrafluoropentoxy]-1,1,2,2-tetrafluoroethanesulfonic acid is sourced from PubChem (CID 58616442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).